1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine

C13H15N5OS — CID 61014093

IUPAC1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1noc(CNC(c2cccs2)c2nccn2C)n1
InChIInChI=1S/C13H15N5OS/c1-9-16-11(19-17-9)8-15-12(10-4-3-7-20-10)13-14-5-6-18(13)2/h3-7,12,15H,8H2,1-2H3
InChIKeyCZFDMPUZYLXUEH-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.05
Rot. Bonds5

About 1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine

1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 61014093) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID61014093
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1noc(CNC(c2cccs2)c2nccn2C)n1
InChIInChI=1S/C13H15N5OS/c1-9-16-11(19-17-9)8-15-12(10-4-3-7-20-10)13-14-5-6-18(13)2/h3-7,12,15H,8H2,1-2H3
InChIKeyCZFDMPUZYLXUEH-UHFFFAOYSA-N
XLogP2.05
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine (CID 61014093) is 1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine is Cc1noc(CNC(c2cccs2)c2nccn2C)n1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is CZFDMPUZYLXUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-9-16-11(19-17-9)8-15-12(10-4-3-7-20-10)13-14-5-6-18(13)2/h3-7,12,15H,8H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 289.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 61014093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).